SCHEMBL7263180

SCHEMBL7263180

CCCC(CC1CC1)Nc1nc(C)nc2c(-c3ccc(C)cc3C)noc12

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 15/20 0.37
KCNH2 Q12809 2/20 0.32
OPRK1 P41145 1/20 0.31
MAPK1 P28482 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7219458 0.93 CRHR1 (0.35) CRHR1MAPK1
SCHEMBL7220766 0.93 CRHR1 (0.39) CRHR1OPRK1MAPK1
SCHEMBL7213701 0.88 CRHR1 (0.41) CRHR1KCNH2
SCHEMBL7220785 0.88 CRHR1 (0.40) CRHR1
SCHEMBL7214595 0.86 CRHR1 (0.47) CRHR1
SCHEMBL7219403 0.86 CRHR1 (0.36) CRHR1OPRK1MAPK1
SCHEMBL7219238 0.85 CRHR1 (0.32) CRHR1MAPK1
SCHEMBL7219429 0.84 CRHR1 (0.46) CRHR1
SCHEMBL7220769 0.84 CRHR1 (0.36) CRHR1OPRK1MAPK1
SCHEMBL7220787 0.81 CRHR1 (0.34) CRHR1OPRK1MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030114451-A1 Isoxazolo [4,5-d] pyrimidines as CRF antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-06-19 US claimed
US-20020013461-A1 Isoxazolo [4,5-d] pyrimidines as CRF antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-01-31 US claimed
US-6294671-B1 FOR THERAPY OF PSYCHIATRIC DISORDERS AND NEUROLOGICAL DISEASES INCLUDING AFFECTIVE DISORDER, ANXIETY, DEPRESSION, HEADACHE, IRRITABLE BOWEL SYNDROME, POST-TRAUMATIC STRESS DISORDER, SUPRANUCLEAR PALSY, IMMUNE SUPPRESSION, ALZHEIMER'S DISEASE DUPONT PHARMACEUTICALS COMPANY 2001-09-25 US claimed
US-20030114451-A1 Isoxazolo [4,5-d] pyrimidines as CRF antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-06-19 US disclosed
US-20020013461-A1 Isoxazolo [4,5-d] pyrimidines as CRF antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-01-31 US disclosed
US-6294671-B1 FOR THERAPY OF PSYCHIATRIC DISORDERS AND NEUROLOGICAL DISEASES INCLUDING AFFECTIVE DISORDER, ANXIETY, DEPRESSION, HEADACHE, IRRITABLE BOWEL SYNDROME, POST-TRAUMATIC STRESS DISORDER, SUPRANUCLEAR PALSY, IMMUNE SUPPRESSION, ALZHEIMER'S DISEASE DUPONT PHARMACEUTICALS COMPANY 2001-09-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020013461-A1 Isoxazolo [4,5-d] pyrimidines as CRF antagonists CRHR1, P2RX5, P2RX1 CRHR1 1/4885KCNH2 2785/4885OPRK1 87/4885
US-20030114451-A1 Isoxazolo [4,5-d] pyrimidines as CRF antagonists CRHR1, P2RX5, P2RX1 CRHR1 1/4885KCNH2 2785/4885OPRK1 87/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.